N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(5-chloranyl-2-methyl-phenyl)-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-(5-chloranyl-2-methyl-phenyl)-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-oxo-ethyl]-N-(5-chloro-2-methyl-phenyl)-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-oxoethyl]-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-keto-ethyl]-N-(5-chloro-2-methyl-phenyl)-4-methyl-benzenesulfonamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N2CCCCCC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C22H27ClN2O3S/c1-17-7-11-20(12-8-17)29(27,28)25(21-15-19(23)10-9-18(21)2)16-22(26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14,16H2,1-2H3